Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds

A Saim, F Belkharroubi, FZ Boufadi, I Ameri… - Journal of Electronic …, 2022 - Springer
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …

Mechanical properties of Heusler alloys

W Everhart, J Newkirk - Heliyon, 2019 - cell.com
Heusler alloys have been a significant topic of research due to their unique electronic
structure, which exhibits half-metallicity, and a wide variety of properties such as magneto …

Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler …

B Gurunani, DC Gupta - Journal of Materials Science, 2024 - Springer
Density functional theory was employed to investigate the structural, electronic, elastic,
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …

Investigation of inherent properties of XScZ (X= Li, Na, K; Z= C, Si, Ge) half-Heusler compounds: appropriate for photovoltaic and thermoelectric applications

PK Kamlesh, R Gautam, S Kumari, AS Verma - Physica B: Condensed …, 2021 - Elsevier
Here, we present the study of XScZ (X= Li, Na and K; Z= C, Si and Ge) half-Heusler
compounds within the density functional theory through full potential linearized augmented …

First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications

M Husain, H Albalawi, M Al Huwayz, R Khan… - RSC …, 2023 - pubs.rsc.org
Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X=
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …

Electronic properties of half-Heusler compounds XCrSb (X= Fe, Ru, Os): Potential applications as spintronics and high-performance thermoelectric materials

NO Nenuwe, E Omugbe - Current Applied Physics, 2023 - Elsevier
First-principles computations were used to investigate the magnetic, structural,
thermoelectric, and electronic properties of the XCrSb (X= Fe, Ru, Os) half-Heuslers. The …

[HTML][HTML] First-principles study of structural, electronic, elastic, thermodynamic and optical properties of topological superconductor LuPtBi

R Majumder, MDM Hossain - Computational Condensed Matter, 2019 - Elsevier
The structural, electronic, elastic, mechanical, thermodynamic and optical properties of
LuPtBi half-Heusler compound have been demonstrated thoroughly in this study for the first …

Electronic and magnetic investigation of half-metallic ferrimagnetic full-Heusler Mn2IrGe

F Benaddi, F Belkharroubi, N Ramdani, M Ameri… - Emergent …, 2021 - Springer
In this study, we are interested in the calculations of physicochemical properties of a new full-
Heusler Mn2IrGe alloy. The calculations are performed by the full-potential linearized …

Theoretical investigation of structural, magnetic and elastic properties of half Heusler LiCrZ (Z= P, As, Bi, Sb) alloys

M Shakil, S Hassan, H Arshad, M Rizwan… - Physica B: Condensed …, 2019 - Elsevier
In this study, physical properties of half Heusler (HH) alloys LiCrZ (Z= P, As, Bi, Sb) are
explored using Wien2k package. All these alloys are found to be the most stable with Type-1 …

Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties

B Gurunani, S Ghosh, DC Gupta - Intermetallics, 2024 - Elsevier
This study employs density functional theory (DFT) using Wien2k to comprehensively
analyze the essential properties of two half-Heusler alloys, KCrSi and KCrGe. Our findings …